2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride

C7H14ClF2NO — CID 155821242

IUPAC2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride
SMILESCC(C)(O)[C@@H]1CC(F)(F)CN1.Cl
InChIInChI=1S/C7H13F2NO.ClH/c1-6(2,11)5-3-7(8,9)4-10-5;/h5,10-11H,3-4H2,1-2H3;1H/t5-;/m0./s1
InChIKeyRSENNMQCDLHFQR-JEDNCBNOSA-N
MW201.64 g/mol
LogP1.18
Rot. Bonds1

About 2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride

2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride (PubChem CID 155821242) has the molecular formula C7H14ClF2NO and a molecular weight of 201.64 g/mol. Its IUPAC name is 2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride
PubChem CID155821242
Molecular FormulaC7H14ClF2NO
Molecular Weight201.64 g/mol
Exact Mass201.07
IUPAC Name2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride
SMILESCC(C)(O)[C@@H]1CC(F)(F)CN1.Cl
InChIInChI=1S/C7H13F2NO.ClH/c1-6(2,11)5-3-7(8,9)4-10-5;/h5,10-11H,3-4H2,1-2H3;1H/t5-;/m0./s1
InChIKeyRSENNMQCDLHFQR-JEDNCBNOSA-N
XLogP1.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.64
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride?
The IUPAC name of 2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride (CID 155821242) is 2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride is CC(C)(O)[C@@H]1CC(F)(F)CN1.Cl.
What is the InChIKey of 2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride?
The InChIKey is RSENNMQCDLHFQR-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H13F2NO.ClH/c1-6(2,11)5-3-7(8,9)4-10-5;/h5,10-11H,3-4H2,1-2H3;1H/t5-;/m0./s1.
What are the key properties of 2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride?
2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride has a molecular weight of 201.64 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 155821242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).